N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)N2CCCC2)Cl

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)N2CCCC2)Cl

InChI

InChI=1S/C16H22ClN3OS/c1-16(2,3)14(21)19-15(22)18-11-6-7-13(12(17)10-11)20-8-4-5-9-20/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19,21,22)